Parameter characterization of HTPEMFC using numerical simulation and genetic algorithms

This paper develops a novel approach to the parameterisation of high temperature exchange membrane fuel cells (HTPEMFC) with limited and non-invasive measurements. The proposed method allows an effective identification of electrochemical parameters for three-dimensional fuel cell models by combining computational simulation tools and genetic algorithms. To avoid each evaluation undertaken by the optimisation method involving a complete computational simulation of the 3D model, a strategy has been designed that, thanks to an iterative process, makes it possible to decouple the fluid dynamic resolution from the electrochemistry one.Two electrochemical models have been incorporated into these tools to describe the behaviour of the catalyst layer, Butler-Volmer and spherical aggregate. For each one, a case study has been carried out to validate the results by comparing them with empirical data in the first model and with data generated by numerical simulation in the second. Results show that, from a set of measured operating conditions, it is possible to identify a unique set of electrochemical parameters that fits the 3D model to the target polarisation curve. The extension of this framework can be used to systematically estimate any model parameter in order to reduce the uncertainty in 3D simulation predictions.     

Process knowledge-based random forest regression for model predictive control on a nonlinear production process with multiple working conditions

In process industry, predictive control approaches have been widely used for nonlinear production processes. Practically, the predictor in a predictive controller is extremely important since it provides future states for the optimization problem of controllers. The conventional predictive controller with precise mathematical predictors approximating the state space of physical systems is difficult and time-consuming for nonlinear production processes, and it performs poorly over a wide range of working conditions and with significant disturbances. To address the challenges, the trend of applying artificial intelligence emerges. However, the industrial process-specific knowledge is ignored in most cases. In this study, a predictive controller with a control process knowledge-based random forest (RF) model is proposed. Specifically, working data are clustered at first to handle diverse working conditions. Then, a process knowledge-based forest predictor, namely MIW-RF model with a redesigned cascading RF structure, is proposed to incorporate control process knowledge into modeling. Thus, future states of controlled variables could be more accurately acquired for the optimizer. A simplified version of the predictive model is also developed with quick model training and updating. The proposed predictive methods are finally introduced into the controller design. According to the empirical results, the proposed methods deliver a better control performance against benchmarks, including more accurate anticipated controlled-variable responses, better set-point tracking and disturbance rejection capability.     

Experimental study and model predictions on helium release in an enclosure with single or multiple vents

This paper presents experiments performed at Canadian Nuclear Laboratories (CNL) to examine the dispersion behaviour of helium in a polycarbonate enclosure that was representative of a residential parking garage. The purpose was to gain a better understanding of the effect of buoyancy- or wind-driven natural ventilation on hydrogen dispersion behaviour. Although hydrogen dispersion studies have been reported extensively in the literature, gaps still exist in predictive methods for hazard analysis. Helium, a simulant for hydrogen, was injected near the centre of the floor with a flow rate ranging from 5 to 75 standard litres per minute through an upward-facing nozzle, resulting in an injection Richardson number ranging between 10^?1 and 10². The location of the nozzle varied from the bottom of the enclosure to near the ceiling to examine the impact of the nozzle elevation on the development of a stratified layer in the upper region of the enclosure. When the injection nozzle was placed at a sufficiently low elevation, the vertical helium profile always consisted of a homogenous layer at the top overlaying a stratified layer at the bottom. To simulate outdoor environmental conditions, a fan was placed in front of each vent to examine the effect of opposing or assisting wind on the dispersion. The helium transients in the uniform layer predicted with analytical models were in good agreement with the measured transients for most tests. Model improvements are required for adequately predicting transients with primarily stratified profiles or strong opposing wind.     

Experimental investigation on the invert stability of operating railway tunnels with different drainage systems using 3D printing technology

In recent years, the invert anomalies of operating railway tunnels in water-rich areas occur frequently, which greatly affect the transportation capacity of the railway lines. Tunnel drainage system is a crucial factor to ensure the invert stability by regulating the external water pressure (EWP). By means of a three-dimensional (3D) printing model, this paper experimentally investigates the deformation behavior of the invert for the tunnels with the traditional drainage system (TDS) widely used in China and its optimized drainage system (ODS) with bottom drainage function. Six test groups with a total of 110 test conditions were designed to consider the design factors and environmental factors in engineering practice, including layout of the drainage system, blockage of the drainage system and groundwater level fluctuation. It was found that there are significant differences in the water discharge, EWP and invert stability for the tunnels with the two drainage systems. Even with a dense arrangement of the external blind tubes, TDS was still difficult to eliminate the excessive EWP below the invert, which is the main cause for the invert instability. Blockage of drainage system further increased the invert uplift and aggravated the track irregularity, especially when the blockage degree is more than 50%. However, ODS can prevent these invert anomalies by reasonably controlling the EWP at tunnel bottom. Even when the groundwater level reached 60 m and the blind tubes were fully blocked, the invert stability can still be maintained and the railway track experienced a settlement of only 1.8 mm. Meanwhile, the on-site monitoring under several rainstorms further showed that the average EWP of the invert was controlled within 84 kPa, while the maximum settlement of the track slab was only 0.92 mm, which also was in good agreement with the results of model test.     

Validation of qPCR method for enterococci quantification at Toronto beaches: Application for rapid recreational water monitoring

Rapid quantitative PCR-based methods for enterococci monitoring can allow public health authorities to make more timely beach posting decisions. However, qPCR methods must be assessed for proposed sites as locale-specific factors may affect DNA recovery or qPCR inhibition. We assessed the feasibility of the USEPA 1609.1 qPCR-based (Enterococcus) method at two urban Toronto beaches and three recreational areas at nearby river mouths in parallel with culture-based methods on the same water samples. A strong positive correlation was observed between the Enterococcus qPCR method and culturing-based quantification methods for E. coli and enterococci at both beaches and two river mouth areas. One river, known to be highly sewage-impacted, did not yield DNA suitable for qPCR analyses. qPCR results from biological replicates were strongly correlated and showed coefficients of variation as low as or lower than culture-based methods. With respect to Beach Action Value exceedances, the USEPA 1609.1 qPCR method provided an 80–90% level of agreement with E. coli enumeration results and >90% with enterococci enumeration. Results indicated that if recreational water locations and sampling conditions met the requirements of the USEPA 1609.1 qPCR method, the method can meet or exceed all quality control requirements and provide water quality results within 3.5 h for diverse recreational water settings around the City of Toronto.     

CFD model for tubular SOFC directly fed by biomass

The coupling between biomass gasification and Solid Oxide Fuel Cells can represent a sustainable and efficient system for electricity production. This work aims to develop a preliminary model for the operation of a tubular, electrolyte-supported fuel cell (SOFC) fed by a syngas mixture. The fuel required by the SOFC system is produced inside the energy generator box from an integrated biomass gasification system. This study stems from the European DB-SOFC project, that proposed the exploitation of the abundant biomasses deriving from agricultural residues for energetic purposes (as from olive oil and wine production). In this study, the main processes have been simulated to find a possible configuration to obtain a power value of 200 W. 25 cells were used in the model to produce the required power. The results showed that at 0.7 V it is possible to achieve 12.3 W, when the biomass gasification was integrated into the SOFC box, while it was possible to achieve 9.6 W when the system was fed by externally produced syngas.     

Experimental study on prediction model of wet gas pressure drop across single-orifice plate in horizontal pipes in the low gas phase Froude number region

The pressure drop prediction of wet gas across single-orifice plate in horizontal pipes had been solved satisfactorily under an annular-mist flow in the upstream of orifice plates. However, this pressure drop prediction is still not clearly determined when the upstream is in an intermittent flow or stratified flow, which is corresponding to a region of low Fr_G (gas phase Froude number) in the flow pattern map of wet gases. In this study, the wet gas pressure drop across a single-orifice plate was experimentally investigated in the low Fr_G region. By the experiment, the flow pattern transition in the downstream of single-orifice plates, as well as the effects of Fr_G and Fr_L (liquid phase Froude number) on Φ_G (gas phase multiplier), were determined and compared when the upstream is in the flow pattern transition and the stratified flow region, respectively. Prediction performances were examined on the available pressure drop models. It was found that no model could be capable of jointly predicting the wet gas pressure drop in the low Fr_G region with an acceptable accuracy. With a new method of correlating Fr_G and Fr_L simultaneously, new correlations were proposed for the low Fr_G region. Among which the modified Chisholm model shows the best prediction accuracies, with the prediction deviations of Φ_G being within 7% and 3% when the upstream is in flow pattern transition and stratified flow region, respectively.     

Introduction to crystallographic refinement of macromolecular atomic models

Refinement of atomic models is a necessary step in solving the macromolecular structure by X-ray diffraction methods. Nowadays, high automation and well-developed interfaces give a possibility to use the most popular refinement programs as black boxes. Nevertheless, working with complex objects requires an understanding of the internal structure and principles of operation of these programs and critical assessment of the results of refinement. In this review, we discuss the basic principles of the organization of refinement programs and the history of their improvement and development, as the studied objects became more and more complicated. The discussions are kept at the level of basic mathematic knowledge avoiding unnecessary formalism and too detailed expressions.